SCHEMBL15635975

SCHEMBL15635975

COc1ccccc1CN1CCC(NC(=O)CNCc2cc(C(=O)O)ccn2)CC1

nearest known ligand 0.58

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 5/20 0.58
▸ CCR2 P41597 1/20 0.49
▸ POLB P06746 2/20 0.49
▸ USP2 O75604 1/20 0.49
▸ SSTR5 P35346 1/20 0.49
▸ CXCR4 P61073 1/20 0.48
▸ MEN1 O00255 1/20 0.47
▸ KMT2A Q03164 1/20 0.47
▸ MCHR1 Q99705 2/20 0.47
▸ KDM4E B2RXH2 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ CCR8 P51685 1/20 0.46
▸ GAA P10253 1/20 0.45

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL15994202 0.89 SIGMAR1 (0.59) SIGMAR1CCR2POLBUSP2CXCR4
SCHEMBL28168925 0.89 SIGMAR1 (0.51) SIGMAR1CCR2POLBUSP2SSTR5
SCHEMBL16293808 0.88 SIGMAR1 (0.58) SIGMAR1CCR2POLBUSP2CXCR4
SCHEMBL16006929 0.87 SIGMAR1 (0.57) SIGMAR1CCR2POLBUSP2CXCR4
SCHEMBL20779104 0.86 SIGMAR1 (0.43) SIGMAR1POLBUSP2MEN1KMT2A
SCHEMBL19574680 0.83 TSHR (0.43) SIGMAR1POLBUSP2GAA
Isonicotinic Acid SCHEMBL28168926 0.81 SIGMAR1 (0.54) SIGMAR1CCR2POLBUSP2SSTR5
SCHEMBL15636697 0.80 KDM5C (0.48) SIGMAR1MEN1KMT2AMCHR1ALDH1A1
SCHEMBL16293099 0.80 SIGMAR1 (0.47) SIGMAR1POLBMEN1KMT2ACCR8
SCHEMBL15637624 0.79 MCHR1 (0.46) SIGMAR1POLBMCHR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 27 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107434803-B Inhibitors of histone demethylases 吉利德科学公司 2020-05-05 — — CN disclosed
US-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-10221139-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-03-05 — — US disclosed
US-10189787-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-01-29 — — US disclosed
US-10189787-B2 Inhibitors of histone demethylases GILEAD SCIENCES, INC. (US) 2019-01-29 — — US disclosed
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
EP-3023415-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2017-12-06 — — EP disclosed
CN-107434803-A Histone demethylase inhibitor 吉利德科学公司 2017-12-05 — — CN disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2017-11-09 — — US disclosed
EP-2903968-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2016-12-07 — — EP disclosed
EP-2903968-B1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES INC (US) 2016-12-07 — — EP disclosed
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
EP-3023415-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2016-05-25 — — EP disclosed
EP-2903968-A1 INHIBITORS OF HISTONE DEMETHYLASES Epitherapeutics ApS (DK) 2015-08-12 — — EP disclosed
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2015-07-23 — — US disclosed
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US disclosed
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES GILEAD SCIENCES, INC. 2014-12-18 — — US disclosed
WO-2014053491-A1 INHIBITORS OF HISTONE DEMETHYLASES EPITHERAPEUTICS APS (DK) 2014-04-10 — — WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (5 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-10189787-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 SIGMAR1 3287/4885CCR2 4239/4885POLB 1641/4885
US-20150203453-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 SIGMAR1 3285/4885CCR2 4303/4885POLB 1419/4885
US-20140371195-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 SIGMAR1 3287/4885CCR2 4239/4885POLB 1641/4885
US-20170320827-A1 INHIBITORS OF HISTONE DEMETHYLASES EHMT1, KDM1B, EHMT2 SIGMAR1 3287/4885CCR2 4239/4885POLB 1641/4885
US-10221139-B2 Inhibitors of histone demethylases EHMT1, KDM1B, EHMT2 SIGMAR1 3287/4885CCR2 4239/4885POLB 1641/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.

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